Local and non-local vertex corrections in GW for extended and localized systems

ORAL

Abstract

A non-local operator like the self-energy can be consistently calculated through many-body perturbation theory for systems of interacting electrons. This is usually done within the framework of Hedin's $GW$ approximation. If the initial Green's function is obtained within a local approximation like DFT-LDA, there is in principle a local vertex given by the static exchange-correlation kernel in the first iteration (Del Sole \emph{et al.} PRB {\bf 49}, 8024 (1994)). We present total energies and bandwidths for jellium and equivalent quantities for He, Be and Ne. We show that a local vertex implemented in both the screened interaction and the self-energy leads to unphysical results. A local vertex in the screened interaction only provides results on par with or slightly better than standard one-shot $G_ {0}W_{0}$. Finally, we obtain significant improvements by introducing non-local vertex corrections derived from non-local starting aproximations for the self-energy.

*European Theoretical Spectroscopy Facility

Authors

  • Martin Stankovski

    • University of York
  • Andrew Morris

    • University of York
  • Benjamin Robinson

    • University of York
  • Rex Godby

    • Physics Dept University of York
    • University of York
    • University of York, U.K., and European Theoretical Spectroscopy Facility
  • Kris Delaney

    • UIUC Urbana
  • Patrick Rinke

    • Fritz-Haber-Institut Berlin
  • Ulf von Barth

    • University of Lund
  • Carl-Olof Almbladh

    • University of Lund
  • Pablo Garc\'Ia-Gonz\'alez

    • UNED Madrid